SCHEMBL7473162

SCHEMBL7473162

CN1CCc2ccc(N3CCN(C4CCN(CCC(=O)O)CC4)C3=O)cc2CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.43
F2 P00734 6/20 0.43
PRSS1 P07477 5/20 0.40
MCHR1 Q99705 1/20 0.39
KHK P50053 2/20 0.37
S1PR1 P21453 2/20 0.36
HPN P05981 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
HGFAC Q04756 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36
CXCR3 P49682 1/20 0.36
S1PR3 Q99500 1/20 0.35
CYP17A1 P05093 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8561724 0.99 F10 (0.43) F10F2PRSS1MCHR1KHK
SCHEMBL7418636 0.90 MCHR1 (0.44) F10F2PRSS1MCHR1KHK
SCHEMBL7477055 0.89 SMN1; SMN2 (0.40) F10F2PRSS1MCHR1KHK
Hydrochloric Acid SCHEMBL8558141 0.89 MCHR1 (0.43) F10F2PRSS1MCHR1KHK
SCHEMBL8562349 0.87 F2 (0.39) F10F2KHKS1PR1CYP17A1
SCHEMBL8562341 0.87 F2 (0.39) F10F2KHKS1PR1CYP17A1
Hydrochloric Acid SCHEMBL7470901 0.86 F10 (0.39) F10F2PRSS1S1PR1S1PR3
Hydrochloric Acid SCHEMBL8560749 0.86 F2 (0.38) F10F2PRSS1KHKCYP17A1
Hydrochloric Acid SCHEMBL8566388 0.83 F10 (0.36) F10F2PRSS1KHK
Hydrochloric Acid SCHEMBL8597445 0.82 ACHE (0.37) F10F2PRSS1KHKCYP17A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP claimed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO claimed
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed